Articles liés à The Gaussian Approximation Potential: An Interatomic...

The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics - Couverture rigide

Bartok-Partay, Albert

 
9783642140662: The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics
Couverture rigide
ISBN 10 : 3642140661 ISBN 13 : 9783642140662
Editeur : Springer-Verlag Berlin and Heidelberg GmbH & Co. K, 2010

Synopsis

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

À propos de la quatrième de couverture

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Date d'édition
2010
Langue
anglais
ISBN 10 
3642140661
ISBN 13 
9783642140662
Reliure
Relié
Nombre de pages
88
Coordonnées du fabricant
Springer Nature Customer Service Center GmbH
ProductSafety@springernature.com

Europaplatz 3
Heidelberg
69115
Allemagne